N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-pyridin-4-yl]-oxalamic acid ethyl ester | 524717-76-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-pyridin-4-yl]-oxalamic acid ethyl ester
• 英文别名: ethyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyridin-4-yl]amino]-2-oxoacetate
• CAS: 524717-76-8
• 化学式: C₁₉H₂₁N₃O₃
• 分子量: 339.394
• InChiKey: SYCPILSKZWDGPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  71.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-pyridin-4-yl]-oxalamic acid ethyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-pyridin-4-yl-amino]-ethanol
  参考文献：
  名称：

  2-(3,4-Dihydro-1H-isoquinolin-2yl)-pyridines as a novel class of NR1/2B subtype selective NMDA receptor antagonists

  摘要：

  Recently, we disclosed 4-aminoquinolines as structurally novel NR1/2B subtype selective NMDA receptor antagonists. We would now like to report our findings on structurally related pyridine analogues. The SAR developed in this series resulted in the discovery of high affinity antagonists which are selective (vs alpha1 and M1 receptors) and active in vivo. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00007-6
• 作为产物：
  描述：

  2-溴-6-甲基吡啶-4-胺 在 吡啶 作用下， 生成 N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-pyridin-4-yl]-oxalamic acid ethyl ester
  参考文献：
  名称：

  2-(3,4-Dihydro-1H-isoquinolin-2yl)-pyridines as a novel class of NR1/2B subtype selective NMDA receptor antagonists

  摘要：

  Recently, we disclosed 4-aminoquinolines as structurally novel NR1/2B subtype selective NMDA receptor antagonists. We would now like to report our findings on structurally related pyridine analogues. The SAR developed in this series resulted in the discovery of high affinity antagonists which are selective (vs alpha1 and M1 receptors) and active in vivo. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00007-6

文献信息

• Pyridine substituted isoquinoline derivatives
  申请人：——

  公开号：US20030119870A1

  公开（公告）日：2003-06-26

  The invention relates to compounds of formulae 1 Compounds of the invention have a good affinity to the NMDA receptor and are useful for the treatment of diseases related to this receptor.

  该发明涉及公式1的化合物。该发明的化合物对NMDA受体具有良好的亲和力，并且可用于治疗与该受体相关的疾病。
• SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER
  申请人：Aventis Pharma S.A.

  公开号：EP1432417A2

  公开（公告）日：2004-06-30
• PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1448547B1

  公开（公告）日：2005-04-20
• US6831087B2
  申请人：——

  公开号：US6831087B2

  公开（公告）日：2004-12-14
• [EN] SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER<br/>[FR] COMPOSES DE BENZIMIDAZOLE SUBSTITUE ET UTILISATION DE CEUX-CI POUR LE TRAITEMENT DU CANCER
  申请人：AVENTIS PHARMA SA

  公开号：WO2003028721A2

  公开（公告）日：2003-04-10

  New benzimidazole compounds of formula I and their use as cyclin-dependent kinases inhibitors compounds as well as new pharmaceutical compositions containing them. (Formula I).